2-[(4-methylphenyl)iminomethyl]phenolate

C14H12NO- — CID 140586343

IUPAC2-[(4-methylphenyl)iminomethyl]phenolate
SMILESCc1ccc(/N=C/c2ccccc2[O-])cc1
InChIInChI=1S/C14H13NO/c1-11-6-8-13(9-7-11)15-10-12-4-2-3-5-14(12)16/h2-10,16H,1H3/p-1/b15-10+
InChIKeyLXHFZWNBMULGIO-XNTDXEJSSA-M
MW210.26 g/mol
LogP2.82
Rot. Bonds2

About 2-[(4-methylphenyl)iminomethyl]phenolate

2-[(4-methylphenyl)iminomethyl]phenolate (PubChem CID 140586343) has the molecular formula C14H12NO- and a molecular weight of 210.26 g/mol. Its IUPAC name is 2-[(4-methylphenyl)iminomethyl]phenolate.

Molecular Properties

Compound Name2-[(4-methylphenyl)iminomethyl]phenolate
PubChem CID140586343
Molecular FormulaC14H12NO-
Molecular Weight210.26 g/mol
Exact Mass210.09
IUPAC Name2-[(4-methylphenyl)iminomethyl]phenolate
SMILESCc1ccc(/N=C/c2ccccc2[O-])cc1
InChIInChI=1S/C14H13NO/c1-11-6-8-13(9-7-11)15-10-12-4-2-3-5-14(12)16/h2-10,16H,1H3/p-1/b15-10+
InChIKeyLXHFZWNBMULGIO-XNTDXEJSSA-M
XLogP2.82
TPSA35.42 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.26
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

copper bis(2-[(4-phenyldiazenylphenyl)iminomethyl]phenolate)
CID 139172748
cobalt(2+);bis(2-[(4-sulfophenyl)iminomethyl]phenolate)
CID 6711571
N-(4-methylphenyl)-1-(2-trimethylsilylsulfanylphenyl)methanimine
CID 140768291
nickel;2-[[2-[(2-oxidophenyl)methylideneamino]phenyl]iminomethyl]phenolate
CID 58725494
bis(2-[[2-[(2-oxidophenyl)methylideneamino]phenyl]iminomethyl]phenolate);uranium(4+)
CID 139115041
methanol;tetrakis(4-methyl-2-[(2-oxidophenyl)methylideneamino]phenolate);tetrakis(nickel(2+))
CID 139177480
copper bis(2-[(4-methyl-2-pyridinyl)iminomethyl]phenolate)
CID 45049441
tetrakis(2,6-dimethylphenolate);bis(2-[[2-[(2-oxidophenyl)methylideneamino]phenyl]iminomethyl]phenolate);bis(titanium(4+))
CID 139136922
N,1-bis(4-methylphenyl)methanimine
CID 525721
N-(4-methylphenyl)-1-[4-[(4-methylphenyl)iminomethyl]phenyl]methanimine
CID 1284722
manganese(3+);2-[2-[(2-oxidophenyl)methylideneamino]ethyliminomethyl]phenolate
CID 6711806
2-[(4-methylphenyl)iminomethyl]naphthalen-1-ol
CID 135953527

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methylphenyl)iminomethyl]phenolate?
The IUPAC name of 2-[(4-methylphenyl)iminomethyl]phenolate (CID 140586343) is 2-[(4-methylphenyl)iminomethyl]phenolate.
What is the SMILES notation for 2-[(4-methylphenyl)iminomethyl]phenolate?
The canonical SMILES for 2-[(4-methylphenyl)iminomethyl]phenolate is Cc1ccc(/N=C/c2ccccc2[O-])cc1.
What is the InChIKey of 2-[(4-methylphenyl)iminomethyl]phenolate?
The InChIKey is LXHFZWNBMULGIO-XNTDXEJSSA-M. The full InChI is InChI=1S/C14H13NO/c1-11-6-8-13(9-7-11)15-10-12-4-2-3-5-14(12)16/h2-10,16H,1H3/p-1/b15-10+.
What are the key properties of 2-[(4-methylphenyl)iminomethyl]phenolate?
2-[(4-methylphenyl)iminomethyl]phenolate has a molecular weight of 210.26 g/mol, XLogP of 2.82, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methylphenyl)iminomethyl]phenolate is sourced from PubChem (CID 140586343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).